5-bromanyl-2-[3-(dimethylamino)propoxy]benzoic acid

Systemtic Name: 5-bromanyl-2-[3-(dimethylamino)propoxy]benzoic acid Openeye Name: 5-bromo-2-[3-(dimethylamino)propoxy]benzoic acid CAS Name: 5-bromo-2-[3-(dimethylamino)propoxy]benzoic acid IUPAC Name: 5-bromo-2-[3-(dimethylamino)propoxy]benzoic acid Traditional Name: 5-bromo-2-[3-(dimethylamino)propoxy]benzoic acid Formula: C12H16BrNO3 MolecularWeight: 302.16434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC1=C(C=C(C=C1)Br)C(=O)O

Isomeric SMILES

CN(C)CCCOC1=C(C=C(C=C1)Br)C(=O)O

InChI

InChI=1S/C12H16BrNO3/c1-14(2)6-3-7-17-11-5-4-9(13)8-10(11)12(15)16/h4-5,8H,3,6-7H2,1-2H3,(H,15,16)